N-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridine-4-carboxamide

C20H17FN4O2 — CID 136703081

IUPACN-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(-c2ccccc2)c2c1C(C(=O)Nc1ccc(F)cc1)CC(=O)N2
InChIInChI=1S/C20H17FN4O2/c1-12-18-16(20(27)22-14-9-7-13(21)8-10-14)11-17(26)23-19(18)25(24-12)15-5-3-2-4-6-15/h2-10,16H,11H2,1H3,(H,22,27)(H,23,26)
InChIKeyLNKHQCIGBSYUTA-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.38
Rot. Bonds3

About N-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridine-4-carboxamide

N-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 136703081) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID136703081
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC NameN-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(-c2ccccc2)c2c1C(C(=O)Nc1ccc(F)cc1)CC(=O)N2
InChIInChI=1S/C20H17FN4O2/c1-12-18-16(20(27)22-14-9-7-13(21)8-10-14)11-17(26)23-19(18)25(24-12)15-5-3-2-4-6-15/h2-10,16H,11H2,1H3,(H,22,27)(H,23,26)
InChIKeyLNKHQCIGBSYUTA-UHFFFAOYSA-N
XLogP3.38
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-(2,6-dimethoxybenzoyl)-1-(4-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136884744
(4S)-4-(3-chlorobenzoyl)-1-(4-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136884745
3,4-dimethyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 155424536
(4R)-4-benzoyl-1-(2,4-difluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136884558
3-methyl-4-[4-(methylamino)phenyl]-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 175774192
(4R)-4-(5-chlorothiophene-2-carbonyl)-1-(4-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136884754
4-(2-fluorophenyl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 137207598
(4R)-4-(1-benzofuran-2-carbonyl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136860080
4-[1-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoic acid
CID 135652759
4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 5218350
4-benzoyl-3-methyl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135654551
(4S)-3-methyl-4-(2-methylphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737482

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridine-4-carboxamide (CID 136703081) is N-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(-c2ccccc2)c2c1C(C(=O)Nc1ccc(F)cc1)CC(=O)N2.
What is the InChIKey of N-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is LNKHQCIGBSYUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-12-18-16(20(27)22-14-9-7-13(21)8-10-14)11-17(26)23-19(18)25(24-12)15-5-3-2-4-6-15/h2-10,16H,11H2,1H3,(H,22,27)(H,23,26).
What are the key properties of N-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridine-4-carboxamide?
N-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 136703081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).